Crystallography Open Database

Information card for entry 8101424

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Coordinates	8101424.cif

Structure parameters

Formula	C17 H21 Br O4
Calculated formula	C17 H21 Br O4
SMILES	BrCC1Oc2c(C31CCC1(OCCO1)CC3)cc(OC)cc2
Title of publication	Crystal structure of 2-(bromomethyl)-spiro[2,3-dihydro-5-methoxybenzofuran- 3,1'(4',4'-ethylendioxy)cyclohexane], C~17~H~21~BrO~4~
Authors of publication	Yates, Matthew H.; Ciufoloni, Marco A.; Bavoux, C.; Perrin, M.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	1999
Journal volume	214
Journal issue	1
Pages of publication	55 - 56
a	6.64 ± 0.001 Å
b	17.034 ± 0.001 Å
c	14.168 ± 0.001 Å
α	90 ± 0.001°
β	93.651 ± 0.001°
γ	90 ± 0.001°
Cell volume	1599.2 ± 0.4 Å³
Cell temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1368
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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